4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-3,4,5-trinitro-phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-3,4,5-trinitro-phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[3,4,5-trinitro-2-(p-tolylsulfonylamino)phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-3,4,5-trinitrophenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]-3,4,5-trinitrophenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[3,4,5-trinitro-2-(tosylamino)phenyl]benzenesulfonamide Formula: C20H17N5O10S2 MolecularWeight: 551.50648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O10S2/c1-12-3-7-14(8-4-12)36(32,33)21-16-11-17(23(26)27)19(24(28)29)20(25(30)31)18(16)22-37(34,35)15-9-5-13(2)6-10-15/h3-11,21-22H,1-2H3